SCHEMBL10243765

SCHEMBL10243765

COC(=O)NCCNC(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
MGLL Q99685 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 7/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALOX12 P18054 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5466533 0.85 NPC1 (0.47) KMT2ANPC1ALDH1A1MAPTLMNA
SCHEMBL5466541 0.85 NPC1 (0.47) KMT2ANPC1ALDH1A1MAPTLMNA
SCHEMBL10244285 0.81 ESR1 (0.42) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL6984561 0.80 ALDH1A1 (0.54) KMT2AGAANPC1ALDH1A1MAPT
SCHEMBL27570921 0.80 NPC1 (0.47) KMT2ANPC1ALDH1A1MAPTLMNA
SCHEMBL30604029 0.80 NPC1 (0.47) KMT2ANPC1ALDH1A1MAPTLMNA
SCHEMBL10243978 0.78 ALDH1A1 (0.51) GAAALDH1A1
SCHEMBL10243724 0.78 KMT2A (0.44) KMT2AGAANPC1ALDH1A1MAPT
SCHEMBL28945403 0.77 ALDH1A1 (0.44) KMT2AGAANPC1ALDH1A1MAPT
SCHEMBL8643315 0.77 CNR1 (0.50) KMT2AGAAMGLLNPC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KMT2A 939/4885GAA 551/4885MGLL 1506/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.